Information card for entry 4500806

Structure parameters

• Formula: C7 H7 Mg N O6
• Calculated formula: C7 H7 Mg N O6
• SMILES: c1c(C(=O)[O-])cncc1C(=O)[O-].[Mg]([OH2])[OH2]
• Title of publication: Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents
• Authors of publication: Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2572
• a: 9.9364 ± 0.0005 Å
• b: 12.0694 ± 0.0006 Å
• c: 7.2763 ± 0.0004 Å
• α: 90°
• β: 106.497 ± 0.0006°
• γ: 90°
• Cell volume: 836.7 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7709 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No